SCHEMBL13647463

SCHEMBL13647463

CCN(c1ccccc1)c1nc(Cl)nc(Nc2cc(SOOO)cc3cc(S(=O)(=O)O)c(N=Nc4ccc(S(=O)(=O)CCNC)cc4)c(O)c23)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.43
▸ ENPP2 Q13822 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ PRMT1 Q99873 2/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ PRMT3 O60678 1/20 0.30
▸ EP300 Q09472 1/20 0.30
▸ PRMT6 Q96LA8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14408152 0.87 FUT8 (0.56) FUT8ENPP2PRMT1CARM1PTPN11
SCHEMBL12589892 0.78 FUT8 (0.58) FUT8ENPP2THRBPRMT1
SCHEMBL13815201 0.78 FUT8 (0.58) FUT8ENPP2THRBPRMT1
SCHEMBL8628445 0.77 FUT8 (0.71) FUT8ENPP2THRBPRMT1CARM1
SCHEMBL8628450 0.77 FUT8 (0.71) FUT8ENPP2THRBPRMT1CARM1
SCHEMBL14582556 0.76 FUT8 (0.49) FUT8ENPP2THRBPRMT1CARM1
SCHEMBL19754267 0.74 FUT8 (0.58) FUT8ENPP2THRBPRMT1CARM1
SCHEMBL13647460 0.74 FUT8 (0.40) FUT8ENPP2THRBPRMT1CARM1
SCHEMBL12646578 0.73 FUT8 (0.57) FUT8ENPP2THRBPRMT1
SCHEMBL12974316 0.73 FUT8 (0.57) FUT8ENPP2THRBPRMT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598357-B1 Bis-reactive dye with n,n-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-10-06 — — US disclosed
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